SCHEMBL18996992

SCHEMBL18996992

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(-c2cccc(F)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
SCN9A Q15858 5/20 0.53
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 1/20 0.53
PTPRB P23467 1/20 0.48
AKT1 P31749 1/20 0.47
ACE P12821 1/20 0.46
CCKAR P32238 3/20 0.46
CCKBR P32239 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
PABPC1 P11940 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18983598 0.86 SCN9A (0.53) SCN9A
SCHEMBL18983593 0.86 SCN9A (0.53) SCN9A
SCHEMBL31075430 0.84 CTSS (0.65) HDAC8SCN9ACTSSCTSKCTSB
SCHEMBL3944495 0.82 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL9610766 0.82 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL4529962 0.81 HDAC8 (0.52) HDAC8SCN9ACTSSCTSKCTSB
SCHEMBL3667405 0.81 HDAC8 (0.64) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3667404 0.81 HDAC8 (0.64) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL23477265 0.80 HDAC8 (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3007613 0.80 HDAC8 (0.63) HDAC8SCN9ACTSSCTSKCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 HDAC8 3360/4885SCN9A 394/4885CTSS 4662/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.